Geometry & MOs

Info

ID:	326548
PubChem CID:	126687756
Reduced:	N7O13C55H83 (1)
Stoich.:	A7B13C55D83 (1)
Weight, g/mol:	283.154784
ΔH_f, kcal/mol:	-629.28
Dipole, Da:	7.83
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]piperidine

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H](C1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C[C@H](C)C(=O)NCC(=O)N3CCC[C@@H]3C(=O)O)O)C(=O)N[C@@H](C)C(=O)C

DOS

IR

Vibrations